CID 442393

Beta-selinene

Structural Information

Molecular Formula
C15H24
SMILES
CC(=C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2C1)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1
InChIKey
YOVSPTNQHMDJAG-QLFBSQMISA-N
Compound name
(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

1950
Patents

204.1878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.8
[M+Na]+ 227.17702 154.1
[M-H]- 203.18052 152.9
[M+NH4]+ 222.22162 171.9
[M+K]+ 243.15096 150.4
[M+H-H2O]+ 187.18506 144.6
[M+HCOO]- 249.18600 164.3
[M+CH3COO]- 263.20165 189.7
[M+Na-2H]- 225.16247 151.4
[M]+ 204.18725 142.2
[M]- 204.18835 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.